SCHEMBL1241570

SCHEMBL1241570

O=C(NCc1ccccc1)c1ncccc1OCC1CCCN1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.42
MAPK14 Q16539 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TACR1 P25103 1/20 0.42
SCD O00767 3/20 0.41
RAB9A P51151 1/20 0.41
PTGER4 P35408 1/20 0.41
VNN1 O95497 1/20 0.40
CCR1 P32246 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1241568 1.00 HRH3 (0.46) HRH3KDM4ELMNAMAPK14MRGPRX4
SCHEMBL1241560 0.92 SORT1 (0.43) HRH3LMNASCDVNN1TRPV1
SCHEMBL1241556 0.92 SORT1 (0.43) HRH3LMNASCDVNN1TRPV1
SCHEMBL9102506 0.89 SCD (0.43) HRH3LMNAMRGPRX4SCDVNN1
SCHEMBL9101507 0.89 LMNA (0.45) KDM4ELMNATRPV1
SCHEMBL9102502 0.89 SCD (0.43) HRH3LMNAMRGPRX4SCDVNN1
SCHEMBL9101500 0.89 LMNA (0.45) KDM4ELMNATRPV1
SCHEMBL1241275 0.88 CCR2 (0.42) HRH3LMNAMRGPRX4TACR1VNN1
SCHEMBL1241273 0.88 CCR2 (0.42) HRH3LMNAMRGPRX4TACR1VNN1
SCHEMBL1238462 0.88 TRPV1 (0.45) KDM4ELMNAVNN1TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US claimed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US claimed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO claimed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HRH3 2517/4885KDM4E 3203/4885LMNA 1079/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HRH3 2517/4885KDM4E 3203/4885LMNA 1079/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.